#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs s PRO 2 N 0.00 4.19 -1.03 0.03 0.02 -1.26 -4.90 135.00 132.04 2kfs s PRO 2 Ca 0.00 2.07 -0.08 0.00 0.02 0.00 0.00 61.00 63.01 2kfs s PRO 2 Cb 0.00 -3.94 -0.12 0.00 0.02 0.00 0.00 34.50 30.47 2kfs s PRO 2 CO 0.00 -0.82 2.79 0.41 -0.33 0.00 0.00 177.00 179.05 2kfs n GLY 3 N 4.02 3.56 3.78 0.52 0.00 -1.26 -4.91 105.19 110.90 2kfs n GLY 3 Ca 0.17 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 2kfs n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfs s ARG 4 N 2.27 4.25 -0.50 1.61 1.81 -1.26 -5.03 118.95 122.10 2kfs s ARG 4 Ca 0.59 1.58 -0.02 0.00 -1.72 0.00 0.00 55.73 56.16 2kfs s ARG 4 Cb 0.18 -2.68 0.13 0.00 -0.45 0.00 0.00 34.95 32.14 2kfs s ARG 4 CO -0.04 -0.08 0.30 0.00 -0.68 0.00 0.00 175.30 174.80 2kfs s ALA 5 N -1.55 3.33 -0.32 2.13 0.00 -1.26 -5.06 121.76 119.04 2kfs s ALA 5 Ca 0.55 -2.90 -0.28 0.00 0.00 0.00 0.00 51.96 49.33 2kfs s ALA 5 Cb -0.24 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 2kfs s ALA 5 CO 0.31 -1.94 2.19 -2.14 0.00 0.00 0.00 175.76 174.18 2kfs s PRO 6 N 0.50 2.87 -0.16 0.00 0.02 -1.26 -4.77 135.00 132.21 2kfs s PRO 6 Ca 0.13 1.73 0.17 0.00 0.02 0.00 0.00 61.00 63.05 2kfs s PRO 6 Cb -0.22 -4.40 0.38 0.00 0.02 0.00 0.00 34.50 30.28 2kfs s PRO 6 CO -0.04 -2.40 1.25 0.41 -0.33 0.00 0.00 177.00 175.89 2kfs n GLY 7 N 5.78 4.68 3.61 0.52 0.00 -1.26 -5.01 105.19 113.51 2kfs n GLY 7 Ca 0.30 -1.13 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 2kfs n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 8 N -1.14 3.45 -4.40 1.61 7.64 -1.26 -4.96 113.62 114.56 2kfs n SER 8 Ca 0.19 0.49 -0.32 0.00 1.01 0.00 0.00 58.87 60.24 2kfs n SER 8 Cb 0.74 -1.51 -0.14 0.00 -1.01 0.00 0.00 64.21 62.29 2kfs n SER 8 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kfs s THR 9 N 6.75 2.59 -0.73 0.44 2.01 -1.26 -5.01 115.64 120.44 2kfs s THR 9 Ca 0.97 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 61.76 2kfs s THR 9 Cb -0.44 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2kfs s THR 9 CO 0.40 0.55 1.83 -0.76 -0.69 0.00 0.00 174.62 175.95 2kfs s LEU 10 N -0.79 3.25 -0.04 4.42 2.01 -1.26 -4.83 118.68 121.45 2kfs s LEU 10 Ca 0.11 -0.10 -0.05 0.00 0.01 0.00 0.00 54.13 54.10 2kfs s LEU 10 Cb -0.10 -2.54 -0.04 0.00 0.01 0.00 0.00 46.19 43.51 2kfs s LEU 10 CO 0.01 -2.42 0.19 0.00 1.01 0.00 0.00 176.35 175.13 2kfs s ALA 11 N 9.01 3.91 -1.00 4.21 0.00 -1.26 -5.03 121.76 131.60 2kfs s ALA 11 Ca 0.65 -0.67 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 2kfs s ALA 11 Cb -0.10 -1.96 0.09 0.00 0.00 0.00 0.00 23.12 21.15 2kfs s ALA 11 CO 0.12 0.68 1.32 -0.98 0.00 0.00 0.00 175.76 176.91 2kfs s ARG 12 N -1.61 3.64 0.00 0.00 1.70 -1.26 -4.48 118.95 116.95 2kfs s ARG 12 Ca 0.24 -1.52 0.11 0.00 -0.47 0.00 0.00 55.73 54.09 2kfs s ARG 12 Cb -0.13 -5.16 0.18 0.00 -0.57 0.00 0.00 34.95 29.27 2kfs s ARG 12 CO 0.14 -2.00 1.01 1.55 -1.08 0.00 0.00 175.30 174.92 2kfs n VAL 13 N 6.15 0.00 -1.24 4.99 3.14 -1.26 -4.95 118.33 125.15 2kfs n VAL 13 Ca 0.30 -0.41 -0.21 0.00 -2.96 0.00 0.00 64.34 61.07 2kfs n VAL 13 Cb 0.50 0.65 -0.07 0.00 -1.06 0.00 0.00 33.84 33.86 2kfs n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kfs n GLY 14 N 0.20 3.91 2.41 7.55 0.00 -1.26 -4.66 105.19 113.34 2kfs n GLY 14 Ca -0.01 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 2kfs n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfs n SER 15 N 1.22 6.51 -4.22 1.61 7.64 -1.26 -4.82 113.62 120.29 2kfs n SER 15 Ca 0.43 -3.08 -0.30 0.00 1.01 0.00 0.00 58.87 56.93 2kfs n SER 15 Cb 0.64 -1.28 -0.17 0.00 -1.01 0.00 0.00 64.21 62.40 2kfs n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2kfs s ILE 16 N -1.54 1.89 0.23 0.44 -1.09 -1.26 -5.11 121.20 114.75 2kfs s ILE 16 Ca 0.60 -0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 57.76 2kfs s ILE 16 Cb 0.35 -1.61 -0.10 0.00 -1.58 0.00 0.00 42.46 39.51 2kfs s ILE 16 CO -0.17 0.53 1.46 -2.84 -1.23 0.00 0.00 174.94 172.68 2kfs s PRO 17 N 0.03 4.26 0.03 2.79 0.02 -1.26 -5.01 135.00 135.86 2kfs s PRO 17 Ca -0.08 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2kfs s PRO 17 Cb -0.14 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 2kfs s PRO 17 CO 0.05 -0.45 -0.10 0.00 -0.33 0.00 0.00 177.00 176.16 2kfs s ALA 18 N 0.24 0.85 0.00 -1.55 0.00 -1.26 -4.71 121.76 115.32 2kfs s ALA 18 Ca 0.61 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2kfs s ALA 18 Cb -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2kfs s ALA 18 CO 0.41 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2kfs n GLY 19 N 2.03 0.55 3.64 0.00 0.00 -1.25 -4.69 105.19 105.46 2kfs n GLY 19 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N -1.00 4.85 -0.15 1.61 2.15 -1.26 -2.69 116.67 120.18 2kfs s ASP 20 Ca 0.00 -0.14 -0.24 0.00 0.43 0.00 0.00 52.55 52.60 2kfs s ASP 20 Cb 0.00 -1.16 -0.02 0.00 -0.30 0.00 0.00 42.92 41.44 2kfs s ASP 20 CO 0.00 0.24 0.75 1.51 -0.17 0.00 0.00 175.17 177.50 2kfs s ASP 21 N -1.77 6.90 -0.16 -0.34 -4.77 -1.24 -4.58 116.67 110.71 2kfs s ASP 21 Ca 0.20 1.10 0.14 0.00 -3.30 0.00 0.00 52.55 50.70 2kfs s ASP 21 Cb -0.11 -2.42 -0.24 0.00 -1.09 0.00 0.00 42.92 39.06 2kfs s ASP 21 CO 0.12 -0.29 0.20 0.52 0.70 0.00 0.00 175.17 176.42 2kfs n VAL 22 N 4.46 1.47 -1.14 2.11 0.31 -1.26 -4.99 118.33 119.29 2kfs n VAL 22 Ca 0.02 -0.81 -0.29 0.00 -0.01 0.00 0.00 64.34 63.24 2kfs n VAL 22 Cb 0.50 -0.73 0.19 0.00 -0.91 0.00 0.00 33.84 32.89 2kfs n VAL 22 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2kfs s LEU 23 N -5.78 1.33 0.14 7.52 0.05 -1.26 -5.01 118.68 115.67 2kfs s LEU 23 Ca -0.11 1.04 -0.24 0.00 0.05 0.00 0.00 54.13 54.87 2kfs s LEU 23 Cb 0.07 -3.10 -0.08 0.00 -2.05 0.00 0.00 46.19 41.03 2kfs s LEU 23 CO 0.81 -3.42 0.73 -0.62 -0.55 0.00 0.00 176.35 173.30 2kfs s ASP 24 N -3.55 7.31 0.61 1.48 -1.08 -1.26 -4.96 116.67 115.22 2kfs s ASP 24 Ca 0.67 1.55 0.28 0.00 -0.52 0.00 0.00 52.55 54.53 2kfs s ASP 24 Cb -0.17 -2.47 1.41 0.00 -1.46 0.00 0.00 42.92 40.23 2kfs s ASP 24 CO 0.57 0.22 1.81 -0.65 0.52 0.00 0.00 175.17 177.65 2kfs h PRO 25 N 4.42 0.00 0.00 4.34 0.11 -1.99 -0.66 132.00 138.22 2kfs h PRO 25 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 2kfs h PRO 25 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2kfs h PRO 25 CO 0.66 0.00 -0.93 0.22 -0.21 0.00 0.00 178.00 177.74 2kfs h ASP 26 N 0.00 0.00 -3.09 -2.05 3.58 -2.05 -3.46 116.42 109.35 2kfs h ASP 26 Ca 0.20 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.12 2kfs h ASP 26 Cb 1.29 0.00 0.06 0.00 1.72 0.00 0.00 39.33 42.40 2kfs h ASP 26 CO -0.00 0.52 0.87 -1.61 -2.88 0.00 0.00 179.24 176.14 2kfs s GLU 27 N -2.96 4.19 0.39 0.28 2.02 -0.26 -4.91 118.70 117.45 2kfs s GLU 27 Ca 0.01 2.45 -0.27 0.00 0.02 0.00 0.00 54.97 57.18 2kfs s GLU 27 Cb 0.08 -3.09 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 2kfs s GLU 27 CO 0.78 -0.59 1.37 -1.25 0.02 0.00 0.00 175.26 175.58 2kfs s PRO 28 N 0.27 4.04 0.29 0.39 0.04 -1.26 -4.94 135.00 133.83 2kfs s PRO 28 Ca 0.66 2.31 0.03 0.00 0.04 0.00 0.00 61.00 64.04 2kfs s PRO 28 Cb -0.45 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2kfs s PRO 28 CO 0.39 -0.49 0.16 0.95 0.04 0.00 0.00 177.00 178.06 2kfs s THR 29 N -1.19 0.27 0.22 1.26 -4.23 -1.26 -2.56 115.64 108.14 2kfs s THR 29 Ca 0.55 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.15 2kfs s THR 29 Cb -0.41 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 2kfs s THR 29 CO 0.54 0.00 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.15 2kfs s TYR 30 N -3.68 1.86 0.28 3.99 2.02 0.70 -4.75 117.35 117.77 2kfs s TYR 30 Ca 0.37 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2kfs s TYR 30 Cb 0.05 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.72 2kfs s TYR 30 CO 0.17 0.44 0.16 0.16 -1.57 0.00 0.00 175.55 174.91 2kfs s ASP 31 N -3.26 1.26 0.13 2.29 -4.77 -1.26 0.36 116.67 111.42 2kfs s ASP 31 Ca 0.23 -1.54 -0.24 0.00 -3.30 0.00 0.00 52.55 47.70 2kfs s ASP 31 Cb -0.02 0.39 -0.05 0.00 -1.09 0.00 0.00 42.92 42.14 2kfs s ASP 31 CO 0.09 -0.89 1.29 0.18 0.70 0.00 0.00 175.17 176.54 2kfs n LEU 32 N -0.52 -0.83 0.04 2.11 7.99 -1.26 -0.07 117.00 124.46 2kfs n LEU 32 Ca 0.02 1.48 -0.02 0.00 -0.01 0.00 0.00 56.01 57.48 2kfs n LEU 32 Cb 0.65 -0.22 0.24 0.00 -0.11 0.00 0.00 43.42 43.98 2kfs n LEU 32 CO 0.34 -1.18 0.76 1.55 -1.51 0.00 0.00 177.39 177.36 2kfs h PRO 33 N 0.00 0.41 -0.18 3.23 0.13 -1.92 -2.46 132.00 131.20 2kfs h PRO 33 Ca 0.13 -0.14 -0.14 0.00 -0.87 0.00 0.00 66.00 64.97 2kfs h PRO 33 Cb 0.32 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 2kfs h PRO 33 CO -0.74 0.62 -0.47 -0.09 -0.23 0.00 0.00 178.00 177.09 2kfs h ARG 34 N 0.36 0.48 -0.37 0.86 9.65 -1.40 -0.04 114.38 123.92 2kfs h ARG 34 Ca 0.06 -0.27 -0.13 0.00 -1.10 0.00 0.00 59.98 58.54 2kfs h ARG 34 Cb 0.62 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2kfs h ARG 34 CO 0.04 0.85 -0.28 0.28 2.80 0.00 0.00 179.97 183.66 2kfs h VAL 35 N 0.38 1.28 -0.98 0.20 2.07 -0.36 -0.51 116.25 118.33 2kfs h VAL 35 Ca 0.02 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.10 2kfs h VAL 35 Cb 0.97 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 2kfs h VAL 35 CO 0.09 0.48 0.64 0.00 0.02 0.00 0.00 177.57 178.79 2kfs h ALA 36 N 0.77 1.27 -0.37 1.67 0.00 -1.24 0.54 119.26 121.90 2kfs h ALA 36 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2kfs h ALA 36 Cb 0.86 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2kfs h ALA 36 CO 0.07 0.66 0.16 1.49 0.00 0.00 0.00 179.25 181.64 2kfs h GLU 37 N 1.34 0.55 0.00 0.00 4.57 -0.76 0.04 114.58 120.33 2kfs h GLU 37 Ca 0.36 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2kfs h GLU 37 Cb -0.13 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 2kfs h GLU 37 CO -0.07 0.51 -0.00 1.25 -1.18 0.00 0.00 179.01 179.52 2kfs h LEU 38 N 0.46 -0.01 0.00 1.64 5.85 -0.37 -3.27 115.31 119.62 2kfs h LEU 38 Ca 0.13 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2kfs h LEU 38 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2kfs h LEU 38 CO -0.01 0.53 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.36 2kfs h LEU 39 N -0.54 0.00 0.26 2.25 3.38 -0.97 -3.47 115.31 116.21 2kfs h LEU 39 Ca -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2kfs h LEU 39 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2kfs h LEU 39 CO 0.00 0.01 -0.05 0.61 0.09 0.00 0.00 178.44 179.09 2kfs n GLY 40 N 1.16 0.34 3.44 0.83 0.00 -0.05 -5.06 105.19 105.85 2kfs n GLY 40 Ca 0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2kfs n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfs s VAL 41 N -2.10 2.31 0.68 1.61 -7.23 -0.86 -5.04 120.40 109.78 2kfs s VAL 41 Ca 0.00 -2.35 -0.14 0.00 -1.81 0.00 0.00 61.98 57.68 2kfs s VAL 41 Cb 0.00 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.72 2kfs s VAL 41 CO 0.00 -0.43 1.11 -2.16 -0.31 0.00 0.00 175.10 173.31 2kfs s PRO 42 N -3.49 2.69 0.33 4.82 0.04 -1.26 -4.37 135.00 133.76 2kfs s PRO 42 Ca 0.28 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.68 2kfs s PRO 42 Cb -0.04 -1.94 0.60 0.00 0.04 0.00 0.00 34.50 33.15 2kfs s PRO 42 CO 0.13 -1.33 1.95 0.28 0.04 0.00 0.00 177.00 178.08 2kfs h VAL 43 N -0.20 1.10 -0.52 -0.36 2.07 -1.93 -0.86 116.25 115.55 2kfs h VAL 43 Ca -0.46 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2kfs h VAL 43 Cb 1.24 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2kfs h VAL 43 CO 0.54 0.17 0.21 -1.28 0.02 0.00 0.00 177.57 177.23 2kfs h SER 44 N 0.93 0.67 -0.60 0.57 0.87 -1.96 -0.33 113.55 113.70 2kfs h SER 44 Ca 0.32 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.72 2kfs h SER 44 Cb 0.10 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2kfs h SER 44 CO -0.10 0.60 0.05 0.50 -0.53 0.00 0.00 176.83 177.34 2kfs h LYS 45 N 0.73 1.04 -0.84 2.24 3.64 -1.53 -2.15 116.57 119.70 2kfs h LYS 45 Ca 0.18 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2kfs h LYS 45 Cb 0.14 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 2kfs h LYS 45 CO -0.02 1.00 0.51 0.28 -2.27 0.00 0.00 179.45 178.95 2kfs h VAL 46 N 0.94 1.23 -0.83 2.00 2.07 -0.97 0.53 116.25 121.22 2kfs h VAL 46 Ca 0.18 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2kfs h VAL 46 Cb 0.50 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2kfs h VAL 46 CO 0.02 0.24 0.54 0.00 0.02 0.00 0.00 177.57 178.39 2kfs h ALA 47 N 1.28 1.09 -0.40 1.67 0.00 -0.60 -0.62 119.26 121.68 2kfs h ALA 47 Ca 0.30 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2kfs h ALA 47 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2kfs h ALA 47 CO -0.06 0.38 -0.20 1.96 0.00 0.00 0.00 179.25 181.33 2kfs h GLN 48 N 1.06 0.84 -0.46 0.00 7.50 -0.69 -2.38 115.11 120.98 2kfs h GLN 48 Ca 0.33 -0.37 0.03 0.00 0.50 0.00 0.00 58.65 59.14 2kfs h GLN 48 Cb -0.02 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.45 2kfs h GLN 48 CO -0.11 1.01 0.24 1.96 -1.50 0.00 0.00 178.83 180.44 2kfs h GLN 49 N 0.65 0.47 -0.51 1.46 1.08 -0.20 -0.94 115.11 117.13 2kfs h GLN 49 Ca 0.09 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2kfs h GLN 49 Cb 0.76 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 2kfs h GLN 49 CO 0.06 0.31 0.27 -0.07 -0.95 0.00 0.00 178.83 178.45 2kfs h LEU 50 N 0.49 0.65 -1.28 1.46 3.38 -1.11 -0.67 115.31 118.23 2kfs h LEU 50 Ca 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2kfs h LEU 50 Cb 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kfs h LEU 50 CO -0.12 0.57 -0.09 0.03 0.09 0.00 0.00 178.44 178.93 2kfs h ARG 51 N 0.68 0.00 -0.00 1.13 3.08 -0.89 -2.26 114.38 116.12 2kfs h ARG 51 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2kfs h ARG 51 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2kfs h ARG 51 CO -0.03 0.09 -0.25 0.39 -1.07 0.00 0.00 179.97 179.10 2kfs n GLU 52 N -3.22 0.51 -2.51 0.04 1.02 -0.41 -4.92 120.64 111.15 2kfs n GLU 52 Ca 0.00 -0.25 -0.01 0.00 -0.02 0.00 0.00 57.16 56.88 2kfs n GLU 52 Cb 0.36 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfs n GLY 53 N 1.38 0.82 0.07 0.62 0.00 -0.85 -4.95 105.19 102.28 2kfs n GLY 53 Ca 0.11 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 2kfs n GLY 53 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kfs h HIS 54 N -0.14 0.00 -2.92 1.61 6.17 -1.33 -3.41 115.15 115.13 2kfs h HIS 54 Ca -0.03 0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.11 2kfs h HIS 54 Cb 1.02 0.00 -0.07 0.00 2.52 0.00 0.00 27.41 30.88 2kfs h HIS 54 CO 0.03 1.00 0.26 -0.48 0.71 0.00 0.00 177.93 179.45 2kfs s LEU 55 N -6.33 -0.32 0.20 0.26 2.34 -1.26 -3.70 118.68 109.88 2kfs s LEU 55 Ca -0.02 -0.45 0.06 0.00 0.06 0.00 0.00 54.13 53.78 2kfs s LEU 55 Cb 0.09 2.63 -0.05 0.00 -0.56 0.00 0.00 46.19 48.30 2kfs s LEU 55 CO 0.82 -1.21 -0.10 0.68 -1.06 0.00 0.00 176.35 175.48 2kfs s VAL 56 N -3.80 1.47 0.06 1.48 -7.23 -1.26 -4.44 120.40 106.68 2kfs s VAL 56 Ca 0.09 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 2kfs s VAL 56 Cb -0.04 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2kfs s VAL 56 CO 0.02 -0.56 -0.16 0.00 -0.31 0.00 0.00 175.10 174.10 2kfs s ALA 57 N -3.14 1.30 0.19 1.32 0.00 -1.26 -4.40 121.76 115.77 2kfs s ALA 57 Ca 0.23 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2kfs s ALA 57 Cb 0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2kfs s ALA 57 CO 0.06 0.23 -0.06 0.14 0.00 0.00 0.00 175.76 176.13 2kfs s VAL 58 N -1.07 1.17 -0.25 0.00 -7.23 0.01 -3.95 120.40 109.09 2kfs s VAL 58 Ca 0.01 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 2kfs s VAL 58 Cb -0.09 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.75 2kfs s VAL 58 CO 0.02 -0.54 0.01 -0.60 -0.31 0.00 0.00 175.10 173.68 2kfs s ARG 59 N -3.79 3.28 -0.12 4.82 3.52 -1.09 -0.35 118.95 125.21 2kfs s ARG 59 Ca 0.23 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2kfs s ARG 59 Cb 0.04 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 2kfs s ARG 59 CO 0.05 -0.29 -0.16 -0.98 -0.81 0.00 0.00 175.30 173.12 2kfs s ARG 60 N 1.49 2.31 -1.83 5.12 1.70 0.95 -3.70 118.95 125.00 2kfs s ARG 60 Ca 0.04 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 2kfs s ARG 60 Cb -0.15 -2.00 0.00 0.00 -0.57 0.00 0.00 34.95 32.23 2kfs s ARG 60 CO -0.01 -0.11 0.00 0.00 -1.08 0.00 0.00 175.30 174.10 2kfs n ALA 61 N 4.35 -0.50 0.00 7.88 0.00 -1.26 -0.98 120.51 130.01 2kfs n ALA 61 Ca -0.18 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kfs n ALA 61 Cb 0.51 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2kfs n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfs n GLY 62 N -0.87 2.28 3.81 0.00 0.00 -1.26 -5.03 105.19 104.12 2kfs n GLY 62 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2kfs n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfs s GLY 63 N -2.19 2.45 -0.26 -0.02 0.00 -0.15 -5.03 107.32 102.12 2kfs s GLY 63 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.36 2kfs s GLY 63 CO 0.00 0.26 0.32 0.54 0.00 0.00 0.00 173.10 174.22 2kfs s VAL 64 N -0.72 5.22 0.14 1.40 0.11 -1.26 -0.03 120.40 125.25 2kfs s VAL 64 Ca 0.24 0.47 0.04 0.00 -2.93 0.00 0.00 61.98 59.80 2kfs s VAL 64 Cb -0.16 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 30.99 2kfs s VAL 64 CO 0.12 0.20 -0.10 0.68 -3.33 0.00 0.00 175.10 172.67 2kfs s VAL 65 N 1.87 1.11 -0.13 2.04 -7.23 0.52 -4.60 120.40 113.99 2kfs s VAL 65 Ca 0.13 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 2kfs s VAL 65 Cb -0.16 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 2kfs s VAL 65 CO 0.10 -0.73 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.45 2kfs s ILE 66 N -3.22 3.56 -0.07 -0.62 -1.09 0.16 -0.81 121.20 119.11 2kfs s ILE 66 Ca 0.15 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 57.78 2kfs s ILE 66 Cb 0.02 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 2kfs s ILE 66 CO 0.00 0.53 1.68 -2.84 -1.23 0.00 0.00 174.94 173.07 2kfs s PRO 67 N 0.12 4.12 0.54 2.79 0.02 -1.26 -0.22 135.00 141.11 2kfs s PRO 67 Ca -0.03 2.16 0.27 0.00 0.02 0.00 0.00 61.00 63.42 2kfs s PRO 67 Cb -0.14 -4.01 1.54 0.00 0.02 0.00 0.00 34.50 31.91 2kfs s PRO 67 CO 0.04 -0.92 2.13 0.37 -0.33 0.00 0.00 177.00 178.29 2kfs h GLN 68 N 9.82 0.00 0.00 5.54 4.15 -1.79 -1.48 115.11 131.36 2kfs h GLN 68 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2kfs h GLN 68 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2kfs h GLN 68 CO 0.96 0.08 0.00 1.33 -1.93 0.00 0.00 178.83 179.27 2kfs n VAL 69 N -3.78 0.54 1.41 2.39 0.24 -1.26 -1.41 118.33 116.44 2kfs n VAL 69 Ca -0.02 0.13 0.14 0.00 -2.04 0.00 0.00 64.34 62.55 2kfs n VAL 69 Cb 0.18 -0.86 0.57 0.00 -1.47 0.00 0.00 33.84 32.25 2kfs n VAL 69 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2kfs n PHE 70 N -1.29 0.00 -4.24 6.34 3.01 -0.56 -4.67 117.46 116.05 2kfs n PHE 70 Ca 0.08 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.31 2kfs n PHE 70 Cb 0.13 -0.14 -0.06 0.00 -0.01 0.00 0.00 39.48 39.39 2kfs n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2kfs s PHE 71 N -2.41 2.80 0.66 1.38 0.40 -0.50 -3.29 117.98 117.02 2kfs s PHE 71 Ca 0.30 -0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 56.35 2kfs s PHE 71 Cb 0.20 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.50 2kfs s PHE 71 CO 0.47 0.59 1.00 0.95 0.70 0.00 0.00 175.22 178.92 2kfs s THR 72 N -2.28 3.18 -0.18 0.64 -4.23 0.57 -4.87 115.64 108.47 2kfs s THR 72 Ca 0.32 0.06 0.28 0.00 -1.18 0.00 0.00 61.69 61.17 2kfs s THR 72 Cb -0.07 -3.32 0.30 0.00 1.34 0.00 0.00 72.50 70.75 2kfs s THR 72 CO 0.21 -0.37 1.83 -1.13 -0.54 0.00 0.00 174.62 174.63 2kfs h ASN 73 N -0.46 0.00 1.07 3.99 -1.24 -1.90 -0.59 115.58 116.45 2kfs h ASN 73 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 2kfs h ASN 73 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 2kfs h ASN 73 CO 0.62 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.56 2kfs n SER 74 N -2.54 0.23 0.00 1.15 7.64 -1.26 -4.89 113.62 113.95 2kfs n SER 74 Ca 0.01 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2kfs n SER 74 Cb 0.20 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfs n GLY 75 N 1.27 0.76 3.78 0.23 0.00 -0.23 -4.59 105.19 106.40 2kfs n GLY 75 Ca 0.06 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2kfs n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kfs s GLN 76 N -0.57 2.97 0.29 1.61 1.11 -1.26 -4.71 119.66 119.10 2kfs s GLN 76 Ca 0.00 -0.59 -0.30 0.00 0.01 0.00 0.00 55.36 54.48 2kfs s GLN 76 Cb 0.00 -2.79 -0.11 0.00 -1.01 0.00 0.00 33.01 29.11 2kfs s GLN 76 CO 0.00 0.60 1.49 0.08 0.01 0.00 0.00 175.29 177.47 2kfs s VAL 77 N -1.30 2.37 0.25 1.09 1.01 -1.26 -0.32 120.40 122.25 2kfs s VAL 77 Ca 0.26 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 2kfs s VAL 77 Cb -0.12 -3.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.93 2kfs s VAL 77 CO 0.18 0.06 1.62 0.52 0.00 0.00 0.00 175.10 177.48 2kfs n VAL 78 N 1.93 0.64 0.12 2.92 0.31 -1.21 -4.82 118.33 118.23 2kfs n VAL 78 Ca 0.06 -0.16 0.19 0.00 -0.01 0.00 0.00 64.34 64.42 2kfs n VAL 78 Cb 0.39 -1.89 0.77 0.00 -0.91 0.00 0.00 33.84 32.20 2kfs n VAL 78 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2kfs h LYS 79 N 5.40 0.00 -0.16 5.55 2.10 -1.93 -0.26 116.57 127.28 2kfs h LYS 79 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2kfs h LYS 79 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2kfs h LYS 79 CO 0.85 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 178.75 2kfs n SER 80 N -3.84 3.23 0.25 7.07 2.88 -1.26 -4.73 113.62 117.22 2kfs n SER 80 Ca 0.05 -2.98 -0.15 0.00 -1.33 0.00 0.00 58.87 54.46 2kfs n SER 80 Cb 0.51 -0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 63.41 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kfs h LEU 81 N 1.09 -0.53 -2.12 2.46 5.85 -1.37 -2.34 115.31 118.34 2kfs h LEU 81 Ca 0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2kfs h LEU 81 Cb 1.23 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2kfs h LEU 81 CO 0.13 -0.24 -0.01 1.55 -0.34 0.00 0.00 178.44 179.53 2kfs h PRO 82 N -0.82 0.00 -0.37 5.25 0.13 -1.78 -2.42 132.00 131.99 2kfs h PRO 82 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 2kfs h PRO 82 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2kfs h PRO 82 CO 0.11 0.01 0.08 0.78 -0.23 0.00 0.00 178.00 178.74 2kfs h GLY 83 N 0.03 0.64 1.08 1.56 0.00 -1.82 -0.24 103.07 104.32 2kfs h GLY 83 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 2kfs h GLY 83 CO 0.00 0.38 -0.20 0.17 0.00 0.00 0.00 176.54 176.89 2kfs h LEU 84 N 0.44 0.98 -0.51 3.11 8.10 -0.95 -2.99 115.31 123.50 2kfs h LEU 84 Ca 0.11 -0.40 -0.01 0.00 0.11 0.00 0.00 57.88 57.70 2kfs h LEU 84 Cb 0.33 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 40.25 2kfs h LEU 84 CO 0.00 1.16 0.29 -0.07 -4.11 0.00 0.00 178.44 175.71 2kfs h LEU 85 N 0.80 0.63 -1.20 0.17 3.38 -1.31 -2.98 115.31 114.80 2kfs h LEU 85 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kfs h LEU 85 Cb 0.78 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2kfs h LEU 85 CO 0.06 0.52 0.34 0.74 0.09 0.00 0.00 178.44 180.20 2kfs h THR 86 N 0.67 1.20 -0.24 0.22 2.02 -0.90 0.27 112.91 116.15 2kfs h THR 86 Ca 0.18 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.78 2kfs h THR 86 Cb 0.03 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2kfs h THR 86 CO -0.03 0.22 -0.11 -0.29 0.37 0.00 0.00 175.52 175.69 2kfs h ILE 87 N 0.90 1.30 -0.29 3.11 -0.00 -1.40 -0.64 117.51 120.50 2kfs h ILE 87 Ca 0.23 -1.17 -0.11 0.00 -0.00 0.00 0.00 64.86 63.81 2kfs h ILE 87 Cb 0.04 1.55 -0.01 0.00 -0.00 0.00 0.00 36.82 38.40 2kfs h ILE 87 CO -0.04 0.36 -0.27 -0.07 -0.00 0.00 0.00 178.15 178.14 2kfs h LEU 88 N 0.23 0.58 -1.03 2.19 -0.00 -1.43 -2.63 115.31 113.22 2kfs h LEU 88 Ca 0.06 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2kfs h LEU 88 Cb 0.60 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 41.06 2kfs h LEU 88 CO 0.03 0.83 0.60 -0.74 -0.00 0.00 0.00 178.44 179.16 2kfs h HIS 89 N 0.50 1.21 -0.03 1.13 2.76 -0.29 -0.43 115.15 119.99 2kfs h HIS 89 Ca 0.07 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2kfs h HIS 89 Cb 0.72 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2kfs h HIS 89 CO 0.03 0.78 -0.37 0.22 -1.30 0.00 0.00 177.93 177.29 2kfs h ASP 90 N 1.28 0.06 0.30 3.26 3.58 -0.88 -1.58 116.42 122.44 2kfs h ASP 90 Ca 0.34 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2kfs h ASP 90 Cb -0.11 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2kfs h ASP 90 CO -0.07 0.43 -0.01 0.61 -2.88 0.00 0.00 179.24 177.32 2kfs n GLY 91 N -0.42 -1.12 2.00 -0.78 0.00 -0.32 -4.89 105.19 99.66 2kfs n GLY 91 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 2kfs n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfs n GLY 92 N 1.16 0.38 3.77 -0.02 0.00 -0.59 -5.02 105.19 104.87 2kfs n GLY 92 Ca 0.19 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 2kfs n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kfs s TYR 93 N -2.00 3.75 0.86 1.61 2.02 -0.35 -5.00 117.35 118.23 2kfs s TYR 93 Ca 0.00 1.35 -0.12 0.00 -0.37 0.00 0.00 57.07 57.93 2kfs s TYR 93 Cb 0.00 -2.67 0.11 0.00 -0.40 0.00 0.00 41.96 39.00 2kfs s TYR 93 CO 0.00 0.40 1.17 -0.98 -1.57 0.00 0.00 175.55 174.57 2kfs s ARG 94 N -0.47 1.55 0.27 -0.62 1.70 -1.26 -4.42 118.95 115.70 2kfs s ARG 94 Ca 0.33 0.14 -0.00 0.00 -0.47 0.00 0.00 55.73 55.73 2kfs s ARG 94 Cb -0.20 -1.90 0.52 0.00 -0.57 0.00 0.00 34.95 32.80 2kfs s ARG 94 CO 0.20 -1.89 1.82 0.38 -1.08 0.00 0.00 175.30 174.73 2kfs h ASP 95 N -1.27 0.80 -0.67 -2.89 3.04 -1.97 -0.98 116.42 112.49 2kfs h ASP 95 Ca -0.48 0.06 -0.02 0.00 -3.24 0.00 0.00 57.03 53.36 2kfs h ASP 95 Cb 1.32 -0.10 -0.03 0.00 -1.04 0.00 0.00 39.33 39.48 2kfs h ASP 95 CO 0.63 0.42 0.36 0.74 -2.04 0.00 0.00 179.24 179.34 2kfs h THR 96 N 0.88 1.21 -0.20 1.15 2.02 -1.89 -2.43 112.91 113.66 2kfs h THR 96 Ca 0.47 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2kfs h THR 96 Cb 0.50 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2kfs h THR 96 CO -0.28 0.24 -0.26 -0.33 0.37 0.00 0.00 175.52 175.25 2kfs h GLU 97 N 0.92 0.37 -0.09 6.66 4.39 -1.55 -0.07 114.58 125.21 2kfs h GLU 97 Ca 0.23 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2kfs h GLU 97 Cb 0.05 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2kfs h GLU 97 CO -0.04 0.61 0.05 0.82 -1.16 0.00 0.00 179.01 179.29 2kfs h ILE 98 N 0.33 1.08 0.00 3.13 1.08 -1.00 -2.08 117.51 120.05 2kfs h ILE 98 Ca 0.05 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2kfs h ILE 98 Cb 0.64 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2kfs h ILE 98 CO 0.05 0.07 0.00 1.15 -0.69 0.00 0.00 178.15 178.73 2kfs n MET 99 N -4.98 0.20 0.21 2.37 0.00 -1.05 -2.65 117.12 111.22 2kfs n MET 99 Ca -0.06 0.30 -0.09 0.00 0.00 0.00 0.00 57.70 57.85 2kfs n MET 99 Cb 0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 33.22 31.45 2kfs n MET 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2kfs h ARG 100 N 0.00 -0.54 -0.13 3.17 2.43 -0.27 -1.21 114.38 117.82 2kfs h ARG 100 Ca 0.00 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2kfs h ARG 100 Cb 0.52 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2kfs h ARG 100 CO 0.00 -0.36 -0.41 0.11 -1.51 0.00 0.00 179.97 177.79 2kfs h TRP 101 N -0.57 0.34 -0.96 2.20 5.08 -1.63 -3.10 115.95 117.31 2kfs h TRP 101 Ca -0.05 -0.09 0.03 0.00 1.08 0.00 0.00 58.89 59.85 2kfs h TRP 101 Cb 0.44 -0.07 -0.05 0.00 -3.00 0.00 0.00 29.16 26.48 2kfs h TRP 101 CO 0.06 0.66 0.63 -0.07 -1.28 0.00 0.00 178.44 178.44 2kfs h LEU 102 N 0.24 1.06 -0.96 0.11 3.38 -1.43 -2.28 115.31 115.42 2kfs h LEU 102 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kfs h LEU 102 Cb 0.84 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2kfs h LEU 102 CO 0.07 0.73 -0.16 0.49 0.09 0.00 0.00 178.44 179.66 2kfs n PHE 103 N -4.46 0.00 -3.03 1.13 3.01 -0.47 -2.27 117.46 111.37 2kfs n PHE 103 Ca 0.12 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.17 2kfs n PHE 103 Cb 0.08 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 39.45 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -2.25 4.87 0.33 4.37 2.01 -0.86 -4.86 115.64 119.26 2kfs s THR 104 Ca 0.29 1.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.03 2kfs s THR 104 Cb 0.20 -4.06 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 2kfs s THR 104 CO 0.43 -0.18 1.30 -2.84 -0.69 0.00 0.00 174.62 172.64 2kfs s PRO 105 N 2.76 4.37 -0.28 4.92 0.02 -1.26 -4.32 135.00 141.22 2kfs s PRO 105 Ca 0.29 2.19 -0.13 0.00 0.02 0.00 0.00 61.00 63.37 2kfs s PRO 105 Cb -0.15 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 2kfs s PRO 105 CO 0.12 -0.17 0.26 0.34 -0.33 0.00 0.00 177.00 177.23 2kfs s ASP 106 N -0.50 6.11 0.63 2.53 2.15 -0.34 -4.87 116.67 122.38 2kfs s ASP 106 Ca 0.49 0.10 0.36 0.00 0.43 0.00 0.00 52.55 53.93 2kfs s ASP 106 Cb -0.39 -2.16 2.10 0.00 -0.30 0.00 0.00 42.92 42.17 2kfs s ASP 106 CO 0.52 -0.11 2.31 1.55 -0.17 0.00 0.00 175.17 179.27 2kfs h PRO 107 N 8.29 0.00 -0.35 4.34 0.13 -1.91 -1.30 132.00 141.20 2kfs h PRO 107 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2kfs h PRO 107 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kfs h PRO 107 CO 0.59 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.23 2kfs n SER 108 N -3.50 3.16 -4.67 1.44 3.41 -1.26 -4.24 113.62 107.96 2kfs n SER 108 Ca -0.03 -1.91 -0.35 0.00 -0.26 0.00 0.00 58.87 56.32 2kfs n SER 108 Cb 0.08 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kfs s LEU 109 N -1.26 3.73 -0.21 1.04 2.96 -0.49 -4.95 118.68 119.49 2kfs s LEU 109 Ca 0.32 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2kfs s LEU 109 Cb 0.19 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 45.01 2kfs s LEU 109 CO 0.26 0.29 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.54 2kfs s THR 110 N -0.32 2.33 0.10 3.68 2.01 -1.26 -0.03 115.64 122.15 2kfs s THR 110 Ca 0.08 -1.08 0.08 0.00 0.31 0.00 0.00 61.69 61.08 2kfs s THR 110 Cb -0.12 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2kfs s THR 110 CO 0.02 0.34 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.46 2kfs s ILE 111 N 1.27 1.69 -0.20 1.82 1.01 0.14 -4.93 121.20 122.00 2kfs s ILE 111 Ca 0.01 -1.54 -0.07 0.00 0.00 0.00 0.00 60.65 59.06 2kfs s ILE 111 Cb -0.15 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 2kfs s ILE 111 CO -0.09 -0.07 0.04 0.42 0.00 0.00 0.00 174.94 175.24 2kfs s THR 112 N -1.19 4.41 -0.15 2.92 -4.23 -1.26 0.40 115.64 116.53 2kfs s THR 112 Ca 0.06 -0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.12 2kfs s THR 112 Cb -0.10 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 2kfs s THR 112 CO 0.04 0.42 0.99 -0.60 -0.54 0.00 0.00 174.62 174.93 2kfs s ARG 113 N 0.83 4.36 0.08 3.99 3.52 -1.25 -4.72 118.95 125.75 2kfs s ARG 113 Ca 0.02 1.32 -0.32 0.00 -0.13 0.00 0.00 55.73 56.62 2kfs s ARG 113 Cb -0.14 -3.57 -0.12 0.00 -1.56 0.00 0.00 34.95 29.56 2kfs s ARG 113 CO 0.02 -0.41 1.80 -3.47 -0.81 0.00 0.00 175.30 172.44 2kfs n ASP 114 N 5.41 3.71 0.00 -2.12 2.03 -1.26 -0.88 116.55 123.44 2kfs n ASP 114 Ca 0.09 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.40 2kfs n ASP 114 Cb 0.48 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kfs n GLY 115 N 4.12 1.42 3.31 0.27 0.00 -1.26 -5.00 105.19 108.05 2kfs n GLY 115 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2kfs n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfs s SER 116 N -1.19 3.04 0.00 1.61 0.15 -0.06 -5.00 113.70 112.26 2kfs s SER 116 Ca 0.00 -0.49 0.26 0.00 0.70 0.00 0.00 55.95 56.42 2kfs s SER 116 Cb 0.00 -0.33 0.66 0.00 -1.71 0.00 0.00 66.02 64.64 2kfs s SER 116 CO 0.00 0.31 1.50 -2.11 1.20 0.00 0.00 173.24 174.14 2kfs n ARG 117 N 2.33 0.91 -2.44 5.44 0.00 -1.26 -4.26 116.66 117.38 2kfs n ARG 117 Ca -0.16 -0.57 -0.41 0.00 -0.00 0.00 0.00 57.85 56.70 2kfs n ARG 117 Cb 0.51 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.46 31.45 2kfs n ARG 117 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2kfs s ASP 118 N -2.49 7.16 0.05 2.89 2.15 -1.26 -4.97 116.67 120.20 2kfs s ASP 118 Ca 0.24 2.15 -0.10 0.00 0.43 0.00 0.00 52.55 55.27 2kfs s ASP 118 Cb 0.19 -2.60 -0.06 0.00 -0.30 0.00 0.00 42.92 40.15 2kfs s ASP 118 CO 0.52 -0.32 0.38 0.00 -0.17 0.00 0.00 175.17 175.58 2kfs s ALA 119 N -0.00 3.74 -0.21 3.66 0.00 -1.26 -3.79 121.76 123.89 2kfs s ALA 119 Ca 0.52 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 2kfs s ALA 119 Cb -0.31 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.56 2kfs s ALA 119 CO 0.35 0.56 -0.12 0.08 0.00 0.00 0.00 175.76 176.63 2kfs s VAL 120 N -1.33 2.64 -0.08 0.00 1.01 0.16 -4.97 120.40 117.83 2kfs s VAL 120 Ca 0.30 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2kfs s VAL 120 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2kfs s VAL 120 CO 0.17 0.41 0.56 -0.44 0.00 0.00 0.00 175.10 175.79 2kfs s SER 121 N 1.35 6.83 -0.17 3.32 0.01 -1.26 -0.68 113.70 123.09 2kfs s SER 121 Ca 0.04 0.99 -0.00 0.00 1.31 0.00 0.00 55.95 58.29 2kfs s SER 121 Cb -0.14 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 2kfs s SER 121 CO -0.08 0.00 0.16 -3.20 0.41 0.00 0.00 173.24 170.54 2kfs n ASN 122 N 3.45 -3.29 -4.58 2.44 5.15 0.95 -4.99 115.26 114.37 2kfs n ASN 122 Ca -0.06 -0.03 -0.25 0.00 -0.60 0.00 0.00 54.58 53.65 2kfs n ASN 122 Cb 0.51 -1.94 -0.09 0.00 -0.53 0.00 0.00 39.78 37.73 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfs s ALA 123 N -3.01 3.06 0.12 5.20 0.00 -1.21 -4.71 121.76 121.22 2kfs s ALA 123 Ca 0.01 -1.96 -0.20 0.00 0.00 0.00 0.00 51.96 49.81 2kfs s ALA 123 Cb -0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 2kfs s ALA 123 CO 0.17 0.12 0.62 -0.98 0.00 0.00 0.00 175.76 175.69 2kfs s ARG 124 N -3.65 4.25 0.54 0.00 1.70 -1.26 -1.20 118.95 119.32 2kfs s ARG 124 Ca 0.33 0.80 0.28 0.00 -0.47 0.00 0.00 55.73 56.67 2kfs s ARG 124 Cb -0.01 -3.16 1.51 0.00 -0.57 0.00 0.00 34.95 32.72 2kfs s ARG 124 CO 0.18 0.58 1.83 -1.35 -1.08 0.00 0.00 175.30 175.46 2kfs h PRO 125 N 4.25 0.00 -0.68 3.89 0.11 -1.70 -0.42 132.00 137.47 2kfs h PRO 125 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2kfs h PRO 125 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2kfs h PRO 125 CO 0.64 0.00 0.40 0.28 -0.21 0.00 0.00 178.00 179.11 2kfs h VAL 126 N 0.00 1.20 -0.05 3.15 2.07 -1.80 -2.09 116.25 118.72 2kfs h VAL 126 Ca 0.00 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 2kfs h VAL 126 Cb 0.44 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2kfs h VAL 126 CO 0.00 0.21 -0.20 0.44 0.02 0.00 0.00 177.57 178.04 2kfs h ASP 127 N 0.92 0.08 0.02 0.57 5.19 -1.36 -1.36 116.42 120.49 2kfs h ASP 127 Ca 0.24 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2kfs h ASP 127 Cb -0.01 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2kfs h ASP 127 CO -0.04 0.29 -0.01 0.00 -3.12 0.00 0.00 179.24 176.36 2kfs h ALA 128 N 1.72 -0.03 -0.51 3.45 0.00 -1.41 -1.35 119.26 121.13 2kfs h ALA 128 Ca 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2kfs h ALA 128 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2kfs h ALA 128 CO 0.03 -0.38 0.10 1.37 0.00 0.00 0.00 179.25 180.37 2kfs h LEU 129 N -0.32 0.74 -1.43 0.00 8.10 -0.83 0.47 115.31 122.05 2kfs h LEU 129 Ca -0.00 -0.14 -0.04 0.00 0.11 0.00 0.00 57.88 57.80 2kfs h LEU 129 Cb 0.30 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2kfs h LEU 129 CO 0.01 0.75 -0.20 -0.74 -4.11 0.00 0.00 178.44 174.14 2kfs h HIS 130 N 0.76 0.00 -0.61 0.17 2.76 -1.22 -2.45 115.15 114.56 2kfs h HIS 130 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2kfs h HIS 130 Cb 0.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2kfs h HIS 130 CO 0.02 0.20 0.00 0.00 -1.30 0.00 0.00 177.93 176.85 2kfs n ALA 131 N -2.26 2.71 -2.01 5.26 0.00 -0.37 -4.70 120.51 119.15 2kfs n ALA 131 Ca -0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 53.44 51.85 2kfs n ALA 131 Cb 0.36 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2kfs n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kfs n HIS 132 N 1.12 -0.39 -1.10 0.00 -0.00 -0.73 -4.90 115.22 109.22 2kfs n HIS 132 Ca 0.23 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.40 2kfs n HIS 132 Cb 0.74 -2.39 0.28 0.00 -0.12 0.00 0.00 29.99 28.49 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2kfs n GLN 133 N -2.15 3.19 -0.04 1.57 6.02 0.15 -4.70 117.38 121.42 2kfs n GLN 133 Ca -0.12 -3.04 0.23 0.00 -0.01 0.00 0.00 57.00 54.05 2kfs n GLN 133 Cb 0.54 -2.05 0.71 0.00 1.02 0.00 0.00 30.24 30.47 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kfs h ALA 134 N 2.15 2.53 -1.00 -1.58 0.00 -1.81 -0.99 119.26 118.56 2kfs h ALA 134 Ca 0.18 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2kfs h ALA 134 Cb 1.97 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 2kfs h ALA 134 CO 0.54 -0.80 0.64 0.00 0.00 0.00 0.00 179.25 179.62 2kfs h ARG 135 N 0.00 1.10 0.00 0.00 3.08 -1.94 0.63 114.38 117.24 2kfs h ARG 135 Ca 0.30 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 2kfs h ARG 135 Cb 1.25 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2kfs h ARG 135 CO -0.00 0.72 -0.32 0.93 -1.07 0.00 0.00 179.97 180.24 2kfs h GLU 136 N 1.13 0.00 -0.26 0.04 4.39 -1.58 -0.09 114.58 118.21 2kfs h GLU 136 Ca 0.44 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 60.00 2kfs h GLU 136 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kfs h GLU 136 CO -0.19 0.32 -0.40 0.28 -1.16 0.00 0.00 179.01 177.85 2kfs h VAL 137 N 0.00 1.30 -0.62 3.13 2.07 -1.09 0.10 116.25 121.14 2kfs h VAL 137 Ca -0.00 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 2kfs h VAL 137 Cb 0.90 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2kfs h VAL 137 CO 0.04 0.51 0.25 0.58 0.02 0.00 0.00 177.57 178.97 2kfs h VAL 138 N 0.46 1.23 -0.31 2.57 2.07 -0.59 0.28 116.25 121.96 2kfs h VAL 138 Ca 0.02 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2kfs h VAL 138 Cb 1.00 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2kfs h VAL 138 CO 0.09 0.29 0.19 -0.09 0.02 0.00 0.00 177.57 178.07 2kfs h ARG 139 N 0.87 0.38 -0.69 1.57 2.43 -0.86 0.06 114.38 118.14 2kfs h ARG 139 Ca 0.21 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2kfs h ARG 139 Cb 0.21 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2kfs h ARG 139 CO -0.02 0.25 0.16 -0.09 -1.51 0.00 0.00 179.97 178.76 2kfs h ARG 140 N 0.39 1.11 -0.38 0.20 9.65 -0.47 -1.57 114.38 123.30 2kfs h ARG 140 Ca 0.12 -0.27 0.02 0.00 -1.10 0.00 0.00 59.98 58.75 2kfs h ARG 140 Cb -0.02 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 2kfs h ARG 140 CO -0.05 0.98 0.21 0.00 2.80 0.00 0.00 179.97 183.92 2kfs h ALA 141 N 1.11 0.48 -0.68 2.80 0.00 0.09 -1.28 119.26 121.78 2kfs h ALA 141 Ca 0.22 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2kfs h ALA 141 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2kfs h ALA 141 CO 0.00 -0.13 0.20 1.96 0.00 0.00 0.00 179.25 181.28 2kfs h GLN 142 N 0.44 1.06 0.00 0.00 4.20 -0.73 -0.72 115.11 119.36 2kfs h GLN 142 Ca 0.15 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2kfs h GLN 142 Cb 0.02 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 2kfs h GLN 142 CO -0.08 0.92 -0.03 0.00 -0.67 0.00 0.00 178.83 178.96 2kfs h ALA 143 N 1.19 1.07 0.00 3.87 0.00 -0.64 0.31 119.26 125.07 2kfs h ALA 143 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2kfs h ALA 143 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kfs h ALA 143 CO -0.01 0.04 -1.42 -1.33 0.00 0.00 0.00 179.25 176.53 2kfs n MET 144 N -3.23 0.63 0.01 0.00 2.81 -0.54 -4.21 117.12 112.59 2kfs n MET 144 Ca -0.01 0.08 -0.04 0.00 -1.81 0.00 0.00 57.70 55.92 2kfs n MET 144 Cb 0.20 -1.74 -0.11 0.00 -0.71 0.00 0.00 33.22 30.87 2kfs n MET 144 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kfs h ALA 145 N 1.75 0.70 0.00 3.04 0.00 -0.07 -3.51 119.26 121.18 2kfs h ALA 145 Ca -0.09 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2kfs h ALA 145 Cb 1.27 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2kfs h ALA 145 CO 0.02 1.21 0.00 0.66 0.00 0.00 0.00 179.25 181.14